SCHEMBL29418971

SCHEMBL29418971

Cc1cc(S(=O)(=O)[O-])ccc1N=Nc1ccc(N=Nc2c(O)ccc3cccc(S(=O)(=O)[O-])c23)c(C)c1.[Na+].[Na+]

nearest known ligand 0.56

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB known ✓ P10828 3/20 0.56
▸ MAPK1 P28482 3/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ TDP1 Q9NUW8 2/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ ALOX15 P16050 1/20 0.56
▸ ALOX12 P18054 1/20 0.56
▸ RECQL P46063 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ HIF1A Q16665 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ APP P05067 1/20 0.55
▸ GLO1 Q04760 3/20 0.51
▸ PTPN1 P18031 4/20 0.49
▸ USP2 O75604 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ DUSP5 Q16690 1/20 0.46
▸ PHLPP2 Q6ZVD8 1/20 0.44
▸ PTPN7 P35236 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29860575 0.87 PHLPP2 (0.55) THRBMAPK1ALDH1A1TDP1CYP3A4
SCHEMBL1743198 0.79 THRB (0.67) THRBMAPK1ALDH1A1TDP1CYP3A4
SCHEMBL1435840 0.79 THRB (0.67) THRBMAPK1ALDH1A1TDP1CYP3A4
SCHEMBL29625856 0.79 THRB (0.67) THRBMAPK1ALDH1A1TDP1CYP3A4
SCHEMBL31511329 0.76 THRB (0.56) THRBMAPK1ALDH1A1TDP1HIF1A
SCHEMBL14418376 0.75 MAPK1 (0.65) THRBMAPK1ALDH1A1TDP1CYP3A4
SCHEMBL29527953 0.75 ALDH1A1 (0.57) THRBMAPK1ALDH1A1TDP1CYP3A4
SCHEMBL29624560 0.74 THRB (0.61) THRBMAPK1ALDH1A1TDP1RECQL
SCHEMBL136632 0.74 THRB (0.64) THRBMAPK1ALDH1A1TDP1RECQL
SCHEMBL29423647 0.74 THRB (0.64) THRBMAPK1ALDH1A1TDP1RECQL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230194387-A1 DEVICE FOR TESTING OF AN ENVIRONMENTAL SAMPLE BECTON, DICKINSON AND COMPANY 2023-06-22 — — US claimed
EP-4189359-A1 DEVICE FOR TESTING OF AN ENVIRONMENTAL SAMPLE Becton, Dickinson and Company (US) 2023-06-07 — — EP claimed
WO-2022056084-A1 DEVICE FOR TESTING OF AN ENVIRONMENTAL SAMPLE BECTON, DICKINSON AND COMPANY (US) 2022-03-17 — — WO claimed
EP-3965738-B1 METHOD FOR PRODUCTION OF LIPOSOMES UNIV DO MINHO (PT) 2025-08-06 — — EP disclosed
US-20240301480-A1 METHODS AND COMPOSITIONS FOR ANALYZING NUCLEIC ACIDS AND NUCLEASES IN A BODY FLUID AS INDICATORS OF DISEASE ARNA GENOMICS US INCORPORATED 2024-09-12 — — US disclosed
US-20240167934-A1 EXCITATION-EMISSION MATRIX FLOW CYTOMETRY SYSTEMS AND USES THEREOF SCINTILLON INSTITUTE FOR BIOMEDICAL AND BIOENERGY RESEARCH 2024-05-23 — — US disclosed
EP-4291870-A1 EXCITATION-EMISSION MATRIX FLOW CYTOMETRY SYSTEMS AND USES THEREOF Scintillon Institute for Biomedical and Bioenergy Research (US) 2023-12-20 — — EP disclosed
US-20230400412-A1 FOLIC ACID FUNCTIONALIZED COPPER SULFIDE NANOPARTICLES FOR THE DETECTION OF OVARIAN CANCER CELLS IN FLOW ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2023-12-14 — — US disclosed
US-20230357868-A1 COMPOSITIONS AND METHODS FOR OBTAINING PLANT CULTIVARS WITH DESIRED TERPENE PROFILES BASED ON TERPENE SYNTHASE GENE SELECTION FRONT RANGE BIOSCIENCES INC (US) 2023-11-09 — — US disclosed
US-11788965-B2 Folic acid functionalized copper sulfide nanoparticles for the detection of ovarian cancer cells in flow ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2023-10-17 — — US disclosed
US-20230251194-A1 OPTICAL ANALYSES OF PARTICLES AND VESICLES SCINTILLON INSTITUTE FOR BIOMEDICAL AND BIOENERGY RESEARCH 2023-08-10 — — US disclosed
US-20230194387-A1 DEVICE FOR TESTING OF AN ENVIRONMENTAL SAMPLE BECTON, DICKINSON AND COMPANY 2023-06-22 — — US disclosed
EP-4189359-A1 DEVICE FOR TESTING OF AN ENVIRONMENTAL SAMPLE Becton, Dickinson and Company (US) 2023-06-07 — — EP disclosed
WO-2023086970-A2 METHODS AND COMPOSITIONS FOR ANALYZING NUCLEIC ACIDS AND NUCLEASES IN A BODY FLUID AS INDICATORS OF DISEASE ARNA GENOMICS US INCORPORATED (US) 2023-05-19 — — WO disclosed
US-11486829-B2 Optical analyses of particles and vesicles SCINTILLON INSTITUTE FOR BIOMEDICAL AND BIOENERGY RESEARCH (US) 2022-11-01 — — US disclosed
WO-2022174056-A1 EXCITATION-EMISSION MATRIX FLOW CYTOMETRY SYSTEMS AND USES THEREOF SCINTILLON INSTITUTE FOR BIOMEDICAL AND BIOENERGY RESEARCH (US) 2022-08-18 — — WO disclosed
US-20220241203-A1 METHOD FOR PRODUCTION OF LIPOSOMES UNIVERSIDADE DO MINHO (PT) 2022-08-04 — — US disclosed
WO-2022056084-A1 DEVICE FOR TESTING OF AN ENVIRONMENTAL SAMPLE BECTON, DICKINSON AND COMPANY (US) 2022-03-17 — — WO disclosed
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